N-[2-[(2-ethylcyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine

C15H27NO — CID 103074403

IUPACN-[2-[(2-ethylcyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)COC1CCCCC1CC
InChIInChI=1S/C15H27NO/c1-3-13-6-4-5-7-15(13)17-11-12(2)10-16-14-8-9-14/h13-16H,2-11H2,1H3
InChIKeyNCTXHOWQCVPUGE-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.28
Rot. Bonds7

About N-[2-[(2-ethylcyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine

N-[2-[(2-ethylcyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine (PubChem CID 103074403) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is N-[2-[(2-ethylcyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(2-ethylcyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine
PubChem CID103074403
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC NameN-[2-[(2-ethylcyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)COC1CCCCC1CC
InChIInChI=1S/C15H27NO/c1-3-13-6-4-5-7-15(13)17-11-12(2)10-16-14-8-9-14/h13-16H,2-11H2,1H3
InChIKeyNCTXHOWQCVPUGE-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-ethylcyclohexyl)oxypropyl]cyclopropanamine
CID 62444923
N-[2-(cyclohexyloxymethyl)prop-2-enyl]cyclopropanamine
CID 103074323
N-ethyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine
CID 103074395
N-[2-[(4-methylcyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine
CID 103074396
2-[(4-methylcyclohexyl)oxymethyl]-N-propan-2-ylprop-2-en-1-amine
CID 103074397
N-tert-butyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine
CID 103074398
2-[(4-methylcyclohexyl)oxymethyl]-N-propylprop-2-en-1-amine
CID 103074399
N-ethyl-2-[(2-ethylcyclohexyl)oxymethyl]prop-2-en-1-amine
CID 103074402
N-tert-butyl-2-[(2-ethylcyclohexyl)oxymethyl]prop-2-en-1-amine
CID 103074404
2-[(2-ethylcyclohexyl)oxymethyl]-N-propylprop-2-en-1-amine
CID 103074405
2-[(2-ethylcyclohexyl)oxymethyl]-N-methylprop-2-en-1-amine
CID 103074407
N-ethyl-2-[(2-methylcyclohexyl)oxymethyl]prop-2-en-1-amine
CID 103074408

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-ethylcyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine?
The IUPAC name of N-[2-[(2-ethylcyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine (CID 103074403) is N-[2-[(2-ethylcyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(2-ethylcyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[2-[(2-ethylcyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine is C=C(CNC1CC1)COC1CCCCC1CC.
What is the InChIKey of N-[2-[(2-ethylcyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine?
The InChIKey is NCTXHOWQCVPUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-3-13-6-4-5-7-15(13)17-11-12(2)10-16-14-8-9-14/h13-16H,2-11H2,1H3.
What are the key properties of N-[2-[(2-ethylcyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine?
N-[2-[(2-ethylcyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine has a molecular weight of 237.39 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-ethylcyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine is sourced from PubChem (CID 103074403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).